4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid

C14H14N2O3 — CID 3162138

IUPAC4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NCc1cccnc1
InChIInChI=1S/C14H14N2O3/c1-19-13-5-4-11(14(17)18)7-12(13)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyROOPRDHQLJWLMT-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.40
Rot. Bonds5

About 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid

4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid (PubChem CID 3162138) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid
PubChem CID3162138
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NCc1cccnc1
InChIInChI=1S/C14H14N2O3/c1-19-13-5-4-11(14(17)18)7-12(13)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyROOPRDHQLJWLMT-UHFFFAOYSA-N
XLogP2.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid?
The IUPAC name of 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid (CID 3162138) is 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid?
The canonical SMILES for 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid is COc1ccc(C(=O)O)cc1NCc1cccnc1.
What is the InChIKey of 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid?
The InChIKey is ROOPRDHQLJWLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-13-5-4-11(14(17)18)7-12(13)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3,(H,17,18).
What are the key properties of 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid?
4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid has a molecular weight of 258.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid is sourced from PubChem (CID 3162138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).